1-hydroxy-3-iodopentane-2,4-dione

C5H7IO3 — CID 88899406

IUPAC1-hydroxy-3-iodopentane-2,4-dione
SMILESCC(=O)C(I)C(=O)CO
InChIInChI=1S/C5H7IO3/c1-3(8)5(6)4(9)2-7/h5,7H,2H2,1H3
InChIKeyLTKIQFLCHLFTLG-UHFFFAOYSA-N
MW242.01 g/mol
LogP-0.06
Rot. Bonds3

About 1-hydroxy-3-iodopentane-2,4-dione

1-hydroxy-3-iodopentane-2,4-dione (PubChem CID 88899406) has the molecular formula C5H7IO3 and a molecular weight of 242.01 g/mol. Its IUPAC name is 1-hydroxy-3-iodopentane-2,4-dione.

Molecular Properties

Compound Name1-hydroxy-3-iodopentane-2,4-dione
PubChem CID88899406
Molecular FormulaC5H7IO3
Molecular Weight242.01 g/mol
Exact Mass241.94
IUPAC Name1-hydroxy-3-iodopentane-2,4-dione
SMILESCC(=O)C(I)C(=O)CO
InChIInChI=1S/C5H7IO3/c1-3(8)5(6)4(9)2-7/h5,7H,2H2,1H3
InChIKeyLTKIQFLCHLFTLG-UHFFFAOYSA-N
XLogP-0.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.01
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-iodopentane-2,4-dione?
The IUPAC name of 1-hydroxy-3-iodopentane-2,4-dione (CID 88899406) is 1-hydroxy-3-iodopentane-2,4-dione.
What is the SMILES notation for 1-hydroxy-3-iodopentane-2,4-dione?
The canonical SMILES for 1-hydroxy-3-iodopentane-2,4-dione is CC(=O)C(I)C(=O)CO.
What is the InChIKey of 1-hydroxy-3-iodopentane-2,4-dione?
The InChIKey is LTKIQFLCHLFTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IO3/c1-3(8)5(6)4(9)2-7/h5,7H,2H2,1H3.
What are the key properties of 1-hydroxy-3-iodopentane-2,4-dione?
1-hydroxy-3-iodopentane-2,4-dione has a molecular weight of 242.01 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-iodopentane-2,4-dione is sourced from PubChem (CID 88899406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).